Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 15/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14078606 | 0.90 | HRH3 (0.50) | HRH3CYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL13391221 | 0.85 | HRH3 (0.46) | HRH3CYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL13391188 | 0.77 | CYP3A4 (0.55) | CYP3A4 | |
| SCHEMBL13409072 | 0.75 | CYP3A4 (0.53) | CYP3A4 | |
| SCHEMBL14090970 | 0.75 | HRH3 (0.64) | HRH3CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14091095 | 0.74 | CYP3A4 (0.52) | CYP3A4 | |
| SCHEMBL13391041 | 0.74 | CYP3A4 (0.52) | CYP3A4 | |
| SCHEMBL13391490 | 0.74 | CYP3A4 (0.52) | CYP3A4 | |
| SCHEMBL13591170 | 0.74 | CYP3A4 (0.52) | CYP3A4 | |
| SCHEMBL13391481 | 0.74 | CYP3A4 (0.52) | CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008108957-A2 | PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN | SCHERING CORPORATION (US) | 2008-09-12 | — | — | WO | disclosed |